(4S,5S)-dithiane-4,5-dithiol

C4H8S4 — CID 87243297

IUPAC(4S,5S)-dithiane-4,5-dithiol
SMILESS[C@H]1CSSC[C@@H]1S
InChIInChI=1S/C4H8S4/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKeyRRWIHJAVNFDNSH-IMJSIDKUSA-N
MW184.38 g/mol
LogP1.98
Rot. Bonds

About (4S,5S)-dithiane-4,5-dithiol

(4S,5S)-dithiane-4,5-dithiol (PubChem CID 87243297) has the molecular formula C4H8S4 and a molecular weight of 184.38 g/mol. Its IUPAC name is (4S,5S)-dithiane-4,5-dithiol.

Molecular Properties

Compound Name(4S,5S)-dithiane-4,5-dithiol
PubChem CID87243297
Molecular FormulaC4H8S4
Molecular Weight184.38 g/mol
Exact Mass183.95
IUPAC Name(4S,5S)-dithiane-4,5-dithiol
SMILESS[C@H]1CSSC[C@@H]1S
InChIInChI=1S/C4H8S4/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKeyRRWIHJAVNFDNSH-IMJSIDKUSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,2-Dithiane
CID 136335
1,2,4,5-Tetrathiane, 3,6-diethyl-
CID 12579750
5,5-Dimethyl-1,2,3,4-tetrathiane
CID 16664423
1,2-Dithiane-3-thiol
CID 91403742
3-(3-Sulfanylpropyldisulfanyl)propane-1-thiol
CID 14662776
Butane-1,2,3,4-tetrathiol
CID 18541669
1,4-Diselenan-2-ylmethanedithiol
CID 18760609
1,4-Diselenane-2,3,5,6-tetrathiol
CID 18760653
1,3-Diselenane-2,4,5,6-tetrathiol
CID 18760676
Butane-1,1,2,4-tetrathiol
CID 18963173
3-[2,3-Bis(sulfanyl)propyldisulfanyl]propane-1,2-dithiol
CID 20768499
Dithian-3-ylmethanedithiol
CID 21712957

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-dithiane-4,5-dithiol?
The IUPAC name of (4S,5S)-dithiane-4,5-dithiol (CID 87243297) is (4S,5S)-dithiane-4,5-dithiol.
What is the SMILES notation for (4S,5S)-dithiane-4,5-dithiol?
The canonical SMILES for (4S,5S)-dithiane-4,5-dithiol is S[C@H]1CSSC[C@@H]1S.
What is the InChIKey of (4S,5S)-dithiane-4,5-dithiol?
The InChIKey is RRWIHJAVNFDNSH-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8S4/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-dithiane-4,5-dithiol?
(4S,5S)-dithiane-4,5-dithiol has a molecular weight of 184.38 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-dithiane-4,5-dithiol is sourced from PubChem (CID 87243297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).